N-(3-ethoxypropyl)-N'-[(4-methylphenyl)methyl]oxamide

C15H22N2O3 — CID 2209969

IUPACN-(3-ethoxypropyl)-N'-[(4-methylphenyl)methyl]oxamide
SMILESCCOCCCNC(=O)C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C15H22N2O3/c1-3-20-10-4-9-16-14(18)15(19)17-11-13-7-5-12(2)6-8-13/h5-8H,3-4,9-11H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyDGSJCFZFKVJNCK-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.15
Rot. Bonds7

About N-(3-ethoxypropyl)-N'-[(4-methylphenyl)methyl]oxamide

N-(3-ethoxypropyl)-N'-[(4-methylphenyl)methyl]oxamide (PubChem CID 2209969) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-N'-[(4-methylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-N'-[(4-methylphenyl)methyl]oxamide
PubChem CID2209969
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-(3-ethoxypropyl)-N'-[(4-methylphenyl)methyl]oxamide
SMILESCCOCCCNC(=O)C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C15H22N2O3/c1-3-20-10-4-9-16-14(18)15(19)17-11-13-7-5-12(2)6-8-13/h5-8H,3-4,9-11H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyDGSJCFZFKVJNCK-UHFFFAOYSA-N
XLogP1.15
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-[(4-chlorophenyl)methyl]-N-(3-ethoxypropyl)oxamide
CID 21369940
N'-benzyl-N-(3-ethoxypropyl)oxamide
CID 21369938
N-(3-ethoxypropyl)-N'-[(4-methoxyphenyl)methyl]oxamide
CID 21369943
N'-[(4-methylphenyl)methyl]-N-(3-propan-2-yloxypropyl)oxamide
CID 3126766
N,N'-bis[(4-methylphenyl)methyl]oxamide
CID 3116969
3-ethoxy-N-[(4-methylphenyl)methyl]propan-1-amine
CID 4716360
N-ethyl-N'-[(4-methylphenyl)methyl]oxamide
CID 2291435
N'-[2-(4-chlorophenyl)ethyl]-N-(3-ethoxypropyl)oxamide
CID 125144861
N-[2-(4-methoxyphenoxy)ethyl]-N'-[(4-methylphenyl)methyl]oxamide
CID 108518165
N-(3-ethoxypropyl)-N'-[2-(4-methoxyphenyl)ethyl]oxamide
CID 108505219
1-N-(3-ethoxypropyl)-3-methyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 53011210
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide
CID 108518152

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-N'-[(4-methylphenyl)methyl]oxamide?
The IUPAC name of N-(3-ethoxypropyl)-N'-[(4-methylphenyl)methyl]oxamide (CID 2209969) is N-(3-ethoxypropyl)-N'-[(4-methylphenyl)methyl]oxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-N'-[(4-methylphenyl)methyl]oxamide?
The canonical SMILES for N-(3-ethoxypropyl)-N'-[(4-methylphenyl)methyl]oxamide is CCOCCCNC(=O)C(=O)NCc1ccc(C)cc1.
What is the InChIKey of N-(3-ethoxypropyl)-N'-[(4-methylphenyl)methyl]oxamide?
The InChIKey is DGSJCFZFKVJNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-20-10-4-9-16-14(18)15(19)17-11-13-7-5-12(2)6-8-13/h5-8H,3-4,9-11H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-(3-ethoxypropyl)-N'-[(4-methylphenyl)methyl]oxamide?
N-(3-ethoxypropyl)-N'-[(4-methylphenyl)methyl]oxamide has a molecular weight of 278.35 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-N'-[(4-methylphenyl)methyl]oxamide is sourced from PubChem (CID 2209969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).